GD006469

Name:

None

Formula:

C26H45O18N

Smiles:

C=CCCCO[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C(=O)O)C[C@H](O)[C@H](N)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:

C=CCCCO.NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO

Sugarmoiety:

OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL539726

AD01770

Formula: C5H10O

Smiles:

C=CCCCO

HBA:	1	RingCount:	0
HBD:	1	FractionCSP3:	0.6
AlogP:	0.94	Num_rotatable_bonds:	3
MolWt:	86.13	Num_heavy_atoms:	6
TPSA:	20.23	NumAromaticRings:	0

AD05355

Formula: C9H17O8N

Smiles:

NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO

HBA:	9	RingCount:	1
HBD:	8	FractionCSP3:	0.89
AlogP:	-4.05	Num_rotatable_bonds:	4
MolWt:	267.23	Num_heavy_atoms:	18
TPSA:	173.7	NumAromaticRings:	0